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Compile Data Set for Download or QSAR

Found 87 hits with Last Name = 'perrin' and Initial = 'd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GRPR


(Homo sapiens (Human))
BDBM50066009
PNG
(CHEMBL3401466)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC(CC1)NC(=O)Cn1cc(C[N+](C)(C)C[B-](F)(F)F)nn1)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1/C70H104BF3N20O13/c1-40(2)25-52(57(95)30-59(97)83-53(64(76)101)26-41(3)4)87-69(106)56(29-47-32-77-39-80-47)84-60(98)33-79-70(107)63(42(5)6)89-65(102)43(7)81-67(104)55(28-45-31-78-50-18-14-13-17-49(45)50)88-66(103)51(19-20-58(75)96)86-68(105)54(27-44-15-11-10-12-16-44)85-61(99)35-92-23-21-46(22-24-92)82-62(100)36-93-34-48(90-91-93)37-94(8,9)38-71(72,73)74/h10-18,31-32,34,39-43,46,51-57,63,78,95H,19-30,33,35-38H2,1-9H3,(H2,75,96)(H2,76,101)(H,77,80)(H,79,107)(H,81,104)(H,82,100)(H,83,97)(H,84,98)(H,85,99)(H,86,105)(H,87,106)(H,88,103)(H,89,102)/t43-,51-,52-,53-,54+,55-,56-,57-,63-/s2
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0.5n/an/an/an/an/an/an/an/a



BC Cancer Agency

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr4]bombesin from GRPR (unknown origin) expressed in human PC3 cells after 45 mins by gamma counting analysis


Bioorg Med Chem 23: 1500-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.009
BindingDB Entry DOI: 10.7270/Q27H1M8C
More data for this
Ligand-Target Pair
GRPR


(Homo sapiens (Human))
BDBM50066009
PNG
(CHEMBL3401466)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC(CC1)NC(=O)Cn1cc(C[N+](C)(C)C[B-](F)(F)F)nn1)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1/C70H104BF3N20O13/c1-40(2)25-52(57(95)30-59(97)83-53(64(76)101)26-41(3)4)87-69(106)56(29-47-32-77-39-80-47)84-60(98)33-79-70(107)63(42(5)6)89-65(102)43(7)81-67(104)55(28-45-31-78-50-18-14-13-17-49(45)50)88-66(103)51(19-20-58(75)96)86-68(105)54(27-44-15-11-10-12-16-44)85-61(99)35-92-23-21-46(22-24-92)82-62(100)36-93-34-48(90-91-93)37-94(8,9)38-71(72,73)74/h10-18,31-32,34,39-43,46,51-57,63,78,95H,19-30,33,35-38H2,1-9H3,(H2,75,96)(H2,76,101)(H,77,80)(H,79,107)(H,81,104)(H,82,100)(H,83,97)(H,84,98)(H,85,99)(H,86,105)(H,87,106)(H,88,103)(H,89,102)/t43-,51-,52-,53-,54+,55-,56-,57-,63-/s2
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n/an/a 0.600n/an/an/an/an/an/a



BC Cancer Agency

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr4]bombesin from GRPR (unknown origin) expressed in human PC3 cells after 45 mins by gamma counting analysis


Bioorg Med Chem 23: 1500-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.009
BindingDB Entry DOI: 10.7270/Q27H1M8C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15|
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15|
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15|
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15|
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kbeta


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50031839
PNG
(((E)-6,10-Dimethyl-1-phosphono-undeca-5,9-dienyl)-...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C13H26O6P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19)/b12-8+
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase from rat liver microsomes


Bioorg Med Chem Lett 6: 1291-1296 (1996)


Article DOI: 10.1016/0960-894X(96)00238-7
BindingDB Entry DOI: 10.7270/Q2ZC82TQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189741
PNG
(5-[5-(2,5-dihydroxyphenyl)furan-2-ylmethylene]thia...)
Show SMILES Oc1ccc(O)c(c1)-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C14H9NO5S/c16-7-1-3-10(17)9(5-7)11-4-2-8(20-11)6-12-13(18)15-14(19)21-12/h1-6,16-17H,(H,15,18,19)/b12-6-
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n/an/a 20n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189760
PNG
(5-[5-(2,4-dihydroxyphenyl)furan-2-ylmethylene]thia...)
Show SMILES Oc1ccc(-c2ccc(\C=C3/SC(=O)NC3=O)o2)c(O)c1
Show InChI InChI=1S/C14H9NO5S/c16-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)15-14(19)21-12/h1-6,16-17H,(H,15,18,19)/b12-6-
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n/an/a 20n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189752
PNG
(5-[5-(3,5-difluoro-2-hydroxyphenyl)furan-2-ylmethy...)
Show SMILES Oc1c(F)cc(F)cc1-c1ccc(\C=C2/SC(=O)NC2=O)s1
Show InChI InChI=1S/C14H7F2NO3S2/c15-6-3-8(12(18)9(16)4-6)10-2-1-7(21-10)5-11-13(19)17-14(20)22-11/h1-5,18H,(H,17,19,20)/b11-5-
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n/an/a 29n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189748
PNG
(4-[5-(2,4-dioxothiazolidin-5-ylidenemethyl)furan-2...)
Show SMILES COC(=O)c1ccc(-c2ccc(\C=C3/SC(=O)NC3=O)o2)c(O)c1
Show InChI InChI=1S/C16H11NO6S/c1-22-15(20)8-2-4-10(11(18)6-8)12-5-3-9(23-12)7-13-14(19)17-16(21)24-13/h2-7,18H,1H3,(H,17,19,21)/b13-7-
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n/an/a 29n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189750
PNG
(5-[5-(2-hydroxyphenyl)furan-2-ylmethylene]thiazoli...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(o1)-c1ccccc1O |w:7.8,t:1|
Show InChI InChI=1S/C14H9NO4S/c16-10-4-2-1-3-9(10)11-6-5-8(19-11)7-12-13(17)15-14(18)20-12/h1-7,16H,(H,15,17,18)
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n/an/a 30n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189744
PNG
((Z)-5-((5-(4-fluoro-2-hydroxyphenyl)furan-2-yl)met...)
Show SMILES Oc1cc(F)ccc1-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C14H8FNO4S/c15-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-
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n/an/a 30n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189743
PNG
(5-[5-(5-fluoro-2-hydroxyphenyl)furan-2-ylmethylene...)
Show SMILES Oc1ccc(F)cc1-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C14H8FNO4S/c15-7-1-3-10(17)9(5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-
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n/an/a 37n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189745
PNG
(5-[5-(2-hydroxy-5-methylphenyl)furan-2-ylmethylene...)
Show SMILES Cc1ccc(O)c(c1)-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C15H11NO4S/c1-8-2-4-11(17)10(6-8)12-5-3-9(20-12)7-13-14(18)16-15(19)21-13/h2-7,17H,1H3,(H,16,18,19)/b13-7-
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n/an/a 39n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189751
PNG
(3-[5-(2,4-dioxothiazolidin-5-ylidenemethyl)furan-2...)
Show SMILES Oc1ccc(cc1-c1ccc(\C=C2/SC(=O)NC2=O)o1)C#N
Show InChI InChI=1S/C15H8N2O4S/c16-7-8-1-3-11(18)10(5-8)12-4-2-9(21-12)6-13-14(19)17-15(20)22-13/h1-6,18H,(H,17,19,20)/b13-6-
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189753
PNG
(5-[5-(2-hydroxy-5-chlorophenyl)furan-2-ylmethylene...)
Show SMILES Oc1ccc(Cl)cc1-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C14H8ClNO4S/c15-7-1-3-10(17)9(5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189742
PNG
(5-[5-(2-hydroxy-5-trifluoromethoxyphenyl)furan-2-y...)
Show SMILES Oc1ccc(OC(F)(F)F)cc1-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C15H8F3NO5S/c16-15(17,18)24-8-1-3-10(20)9(5-8)11-4-2-7(23-11)6-12-13(21)19-14(22)25-12/h1-6,20H,(H,19,21,22)/b12-6-
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50059875
PNG
((S)-3-Phenyl-2-((4E,8E)-5,9,13-trimethyl-2-phospho...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O)P([#8])([#8])=O |w:14.13|
Show InChI InChI=1S/C26H38NO6P/c1-19(2)10-8-11-20(3)12-9-13-21(4)16-17-24(34(31,32)33)25(28)27-23(26(29)30)18-22-14-6-5-7-15-22/h5-7,10,12,14-15,17,21,23H,8-9,11,13,16,18H2,1-4H3,(H,27,28)(H,29,30)(H2,31,32,33)/b20-12+,24-17?/t21?,23-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl protein transferase from bovine brain


Bioorg Med Chem Lett 6: 1291-1296 (1996)


Article DOI: 10.1016/0960-894X(96)00238-7
BindingDB Entry DOI: 10.7270/Q2ZC82TQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189764
PNG
(5-[5-(2-hydroxy-3-nitrophenyl)furan-2-ylmethylene]...)
Show SMILES Oc1c(cccc1[N+]([O-])=O)-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C14H8N2O6S/c17-12-8(2-1-3-9(12)16(20)21)10-5-4-7(22-10)6-11-13(18)15-14(19)23-11/h1-6,17H,(H,15,18,19)/b11-6-
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50287113
PNG
((S)-3-Phenyl-2-((4E,8E)-5,9,13-trimethyl-2-phospho...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6](-[#6]P([#8])([#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |w:13.13|
Show InChI InChI=1S/C27H40NO6P/c1-20(2)10-8-11-21(3)12-9-13-22(4)16-17-24(19-35(32,33)34)26(29)28-25(27(30)31)18-23-14-6-5-7-15-23/h5-7,10,12,14-16,24-25H,8-9,11,13,17-19H2,1-4H3,(H,28,29)(H,30,31)(H2,32,33,34)/b21-12+,22-16?/t24?,25-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase from rat liver microsomes


Bioorg Med Chem Lett 6: 1291-1296 (1996)


Article DOI: 10.1016/0960-894X(96)00238-7
BindingDB Entry DOI: 10.7270/Q2ZC82TQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50189741
PNG
(5-[5-(2,5-dihydroxyphenyl)furan-2-ylmethylene]thia...)
Show SMILES Oc1ccc(O)c(c1)-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C14H9NO5S/c16-7-1-3-10(17)9(5-7)11-4-2-8(20-11)6-12-13(18)15-14(19)21-12/h1-6,16-17H,(H,15,18,19)/b12-6-
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189746
PNG
(5-(5-pyridin-2-ylfuran-2-ylmethylene)thiazolidine-...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(o1)-c1ccccn1 |w:7.8,t:1|
Show InChI InChI=1S/C13H8N2O3S/c16-12-11(19-13(17)15-12)7-8-4-5-10(18-8)9-3-1-2-6-14-9/h1-7H,(H,15,16,17)
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50287113
PNG
((S)-3-Phenyl-2-((4E,8E)-5,9,13-trimethyl-2-phospho...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6](-[#6]P([#8])([#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |w:13.13|
Show InChI InChI=1S/C27H40NO6P/c1-20(2)10-8-11-21(3)12-9-13-22(4)16-17-24(19-35(32,33)34)26(29)28-25(27(30)31)18-23-14-6-5-7-15-23/h5-7,10,12,14-16,24-25H,8-9,11,13,17-19H2,1-4H3,(H,28,29)(H,30,31)(H2,32,33,34)/b21-12+,22-16?/t24?,25-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl protein transferase from bovine brain


Bioorg Med Chem Lett 6: 1291-1296 (1996)


Article DOI: 10.1016/0960-894X(96)00238-7
BindingDB Entry DOI: 10.7270/Q2ZC82TQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50189746
PNG
(5-(5-pyridin-2-ylfuran-2-ylmethylene)thiazolidine-...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(o1)-c1ccccn1 |w:7.8,t:1|
Show InChI InChI=1S/C13H8N2O3S/c16-12-11(19-13(17)15-12)7-8-4-5-10(18-8)9-3-1-2-6-14-9/h1-7H,(H,15,16,17)
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50189760
PNG
(5-[5-(2,4-dihydroxyphenyl)furan-2-ylmethylene]thia...)
Show SMILES Oc1ccc(-c2ccc(\C=C3/SC(=O)NC3=O)o2)c(O)c1
Show InChI InChI=1S/C14H9NO5S/c16-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)15-14(19)21-12/h1-6,16-17H,(H,15,18,19)/b12-6-
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189766
PNG
(5-((5-(2-hydroxy-5-nitrophenyl)furan-2-yl)methylen...)
Show SMILES Oc1ccc(cc1-c1ccc(\C=C2/SC(=S)NC2=O)o1)[N+]([O-])=O
Show InChI InChI=1S/C14H8N2O5S2/c17-10-3-1-7(16(19)20)5-9(10)11-4-2-8(21-11)6-12-13(18)15-14(22)23-12/h1-6,17H,(H,15,18,22)/b12-6-
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50189748
PNG
(4-[5-(2,4-dioxothiazolidin-5-ylidenemethyl)furan-2...)
Show SMILES COC(=O)c1ccc(-c2ccc(\C=C3/SC(=O)NC3=O)o2)c(O)c1
Show InChI InChI=1S/C16H11NO6S/c1-22-15(20)8-2-4-10(11(18)6-8)12-5-3-9(23-12)7-13-14(19)17-16(21)24-13/h2-7,18H,1H3,(H,17,19,21)/b13-7-
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50287115
PNG
((S)-3-Phenyl-2-((5E,9E)-6,10,14-trimethyl-3-phosph...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6]=[#6](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O)P([#8])([#8])=O |w:14.13|
Show InChI InChI=1S/C27H40NO6P/c1-20(2)10-8-11-21(3)12-9-13-22(4)16-17-24(35(32,33)34)19-26(29)28-25(27(30)31)18-23-14-6-5-7-15-23/h5-7,10,12,14-15,17,22,25H,8-9,11,13,16,18-19H2,1-4H3,(H,28,29)(H,30,31)(H2,32,33,34)/b21-12+,24-17?/t22?,25-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase from rat liver microsomes


Bioorg Med Chem Lett 6: 1291-1296 (1996)


Article DOI: 10.1016/0960-894X(96)00238-7
BindingDB Entry DOI: 10.7270/Q2ZC82TQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50189751
PNG
(3-[5-(2,4-dioxothiazolidin-5-ylidenemethyl)furan-2...)
Show SMILES Oc1ccc(cc1-c1ccc(\C=C2/SC(=O)NC2=O)o1)C#N
Show InChI InChI=1S/C15H8N2O4S/c16-7-8-1-3-11(18)10(5-8)12-4-2-9(21-12)6-13-14(19)17-15(20)22-13/h1-6,18H,(H,17,19,20)/b13-6-
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189756
PNG
(5-[5-(2-fluoro-4-hydroxyphenyl)furan-2-ylmethylene...)
Show SMILES Oc1ccc(-c2ccc(\C=C3/SC(=O)NC3=O)o2)c(F)c1
Show InChI InChI=1S/C14H8FNO4S/c15-10-5-7(17)1-3-9(10)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189755
PNG
(5-[5-(3-hydroxyphenyl)furan-2-ylmethylene]thiazoli...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cccc(O)c1 |w:7.8,t:1|
Show InChI InChI=1S/C14H9NO4S/c16-9-3-1-2-8(6-9)11-5-4-10(19-11)7-12-13(17)15-14(18)20-12/h1-7,16H,(H,15,17,18)
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kbeta


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50189750
PNG
(5-[5-(2-hydroxyphenyl)furan-2-ylmethylene]thiazoli...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(o1)-c1ccccc1O |w:7.8,t:1|
Show InChI InChI=1S/C14H9NO4S/c16-10-4-2-1-3-9(10)11-6-5-8(19-11)7-12-13(17)15-14(18)20-12/h1-7,16H,(H,15,17,18)
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50189752
PNG
(5-[5-(3,5-difluoro-2-hydroxyphenyl)furan-2-ylmethy...)
Show SMILES Oc1c(F)cc(F)cc1-c1ccc(\C=C2/SC(=O)NC2=O)s1
Show InChI InChI=1S/C14H7F2NO3S2/c15-6-3-8(12(18)9(16)4-6)10-2-1-7(21-10)5-11-13(19)17-14(20)22-11/h1-5,18H,(H,17,19,20)/b11-5-
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189747
PNG
(5-[5-(4-hydroxyphenyl)furan-2-ylmethylene]thiazoli...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(o1)-c1ccc(O)cc1 |w:7.8,t:1|
Show InChI InChI=1S/C14H9NO4S/c16-9-3-1-8(2-4-9)11-6-5-10(19-11)7-12-13(17)15-14(18)20-12/h1-7,16H,(H,15,17,18)
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n/an/a 380n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50059860
PNG
(((2E,6E)-1-Hydroxy-3,7,11-trimethyl-dodeca-2,6,10-...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6](=O)P([#8])([#8])=O
Show InChI InChI=1S/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,14H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)/b13-9+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl protein transferase from bovine brain


Bioorg Med Chem Lett 6: 1291-1296 (1996)


Article DOI: 10.1016/0960-894X(96)00238-7
BindingDB Entry DOI: 10.7270/Q2ZC82TQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50189743
PNG
(5-[5-(5-fluoro-2-hydroxyphenyl)furan-2-ylmethylene...)
Show SMILES Oc1ccc(F)cc1-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C14H8FNO4S/c15-7-1-3-10(17)9(5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-
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n/an/a 455n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50287115
PNG
((S)-3-Phenyl-2-((5E,9E)-6,10,14-trimethyl-3-phosph...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6]=[#6](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O)P([#8])([#8])=O |w:14.13|
Show InChI InChI=1S/C27H40NO6P/c1-20(2)10-8-11-21(3)12-9-13-22(4)16-17-24(35(32,33)34)19-26(29)28-25(27(30)31)18-23-14-6-5-7-15-23/h5-7,10,12,14-15,17,22,25H,8-9,11,13,16,18-19H2,1-4H3,(H,28,29)(H,30,31)(H2,32,33,34)/b21-12+,24-17?/t22?,25-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl protein transferase from bovine brain


Bioorg Med Chem Lett 6: 1291-1296 (1996)


Article DOI: 10.1016/0960-894X(96)00238-7
BindingDB Entry DOI: 10.7270/Q2ZC82TQ
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50287116
PNG
(((3E,7E)-4,8,12-Trimethyl-1-phenethylcarbamoyl-tri...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1)P([#8])([#8])=O |w:14.13|
Show InChI InChI=1S/C25H38NO4P/c1-20(2)10-8-11-21(3)12-9-13-22(4)16-17-24(31(28,29)30)25(27)26-19-18-23-14-6-5-7-15-23/h5-7,10,12,14-15,17,22H,8-9,11,13,16,18-19H2,1-4H3,(H,26,27)(H2,28,29,30)/b21-12+,24-17?
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TBA

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase from rat liver microsomes


Bioorg Med Chem Lett 6: 1291-1296 (1996)


Article DOI: 10.1016/0960-894X(96)00238-7
BindingDB Entry DOI: 10.7270/Q2ZC82TQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50189745
PNG
(5-[5-(2-hydroxy-5-methylphenyl)furan-2-ylmethylene...)
Show SMILES Cc1ccc(O)c(c1)-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C15H11NO4S/c1-8-2-4-11(17)10(6-8)12-5-3-9(20-12)7-13-14(18)16-15(19)21-13/h2-7,17H,1H3,(H,16,18,19)/b13-7-
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50287118
PNG
((R)-3-Phenyl-2-((4E,8E)-5,9,13-trimethyl-2-phospho...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#8])=O)P([#8])([#8])=O |w:14.13|
Show InChI InChI=1S/C26H38NO6P/c1-19(2)10-8-11-20(3)12-9-13-21(4)16-17-24(34(31,32)33)25(28)27-23(26(29)30)18-22-14-6-5-7-15-22/h5-7,10,12,14-15,17,21,23H,8-9,11,13,16,18H2,1-4H3,(H,27,28)(H,29,30)(H2,31,32,33)/b20-12+,24-17?/t21?,23-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase from rat liver microsomes


Bioorg Med Chem Lett 6: 1291-1296 (1996)


Article DOI: 10.1016/0960-894X(96)00238-7
BindingDB Entry DOI: 10.7270/Q2ZC82TQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189758
PNG
(3-[5-(2,4-dioxothiazolidin-5-ylidenemethyl)furan-2...)
Show SMILES OC(=O)c1ccc(O)c(c1)-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C15H9NO6S/c17-10-3-1-7(14(19)20)5-9(10)11-4-2-8(22-11)6-12-13(18)16-15(21)23-12/h1-6,17H,(H,19,20)(H,16,18,21)/b12-6-
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n/an/a 530n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50189753
PNG
(5-[5-(2-hydroxy-5-chlorophenyl)furan-2-ylmethylene...)
Show SMILES Oc1ccc(Cl)cc1-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C14H8ClNO4S/c15-7-1-3-10(17)9(5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-
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n/an/a 545n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50189766
PNG
(5-((5-(2-hydroxy-5-nitrophenyl)furan-2-yl)methylen...)
Show SMILES Oc1ccc(cc1-c1ccc(\C=C2/SC(=S)NC2=O)o1)[N+]([O-])=O
Show InChI InChI=1S/C14H8N2O5S2/c17-10-3-1-7(16(19)20)5-9(10)11-4-2-8(21-11)6-12-13(18)15-14(22)23-12/h1-6,17H,(H,15,18,22)/b12-6-
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n/an/a 600n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50189742
PNG
(5-[5-(2-hydroxy-5-trifluoromethoxyphenyl)furan-2-y...)
Show SMILES Oc1ccc(OC(F)(F)F)cc1-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C15H8F3NO5S/c16-15(17,18)24-8-1-3-10(20)9(5-8)11-4-2-7(23-11)6-12-13(21)19-14(22)25-12/h1-6,20H,(H,19,21,22)/b12-6-
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50189765
PNG
(5-(5-pyridin-3-ylfuran-2-ylmethylene)thiazolidine-...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cccnc1 |w:7.8,t:1|
Show InChI InChI=1S/C13H8N2O3S/c16-12-11(19-13(17)15-12)6-9-3-4-10(18-9)8-2-1-5-14-7-8/h1-7H,(H,15,16,17)
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n/an/a 630n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 720n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189768
PNG
(5-[2,3']bifuranyl-5-ylmethylenethiazolidine-2,4-di...)
Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(o1)-c1ccoc1 |w:7.8,t:1|
Show InChI InChI=1S/C12H7NO4S/c14-11-10(18-12(15)13-11)5-8-1-2-9(17-8)7-3-4-16-6-7/h1-6H,(H,13,14,15)
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n/an/a 840n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189763
PNG
(3-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=C2/SC(=S)NC2=O)o1
Show InChI InChI=1S/C15H9NO4S2/c17-13-12(22-15(21)16-13)7-10-4-5-11(20-10)8-2-1-3-9(6-8)14(18)19/h1-7H,(H,18,19)(H,16,17,21)/b12-7-
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Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
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